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libraries

Chemical libraries

The following is a list of chemical libraries that may be used in virtual screening scenarios.

In the SB&NB file-system, compound collections can be found in /aloy/web_checker/libraries/.
The chemical_checker database contains the compound collections, too, in the libraries table.

These are popular compound libraries that we offer as default search libraries in the Chemical Checker similarity resource.

We have a particular interest in natural product (NP) databases, mainly because they are likely to be useful for Global Health research.

South African Natural Compounds Database (SANCDB): https://sancdb.rubi.ru.ac.za/. Contains about 600 NPs, all of them with some degree of bioactivity annotation. Belongs to the Research Unit in Bioinformatics (RUBi), NIH Common Fund and Rhodes University.
AfroDB: . Contains 947 compounds. Coordinated from Cameroon.
Natural Product Activity and Species Source database (NPASS): http://bidd2.nus.edu.sg/NPASS/. Over 35k well-annotated compounds, belonging to 25k organisms.
Northern African Natural Products Database (NANPDB): http://african-compounds.org/nanpdb/. About 4.5k NPs from Northern Africa, mainly from plants.
Brazilian Natural Compound Database (NUBBEdb): https://nubbe.iq.unesp.br/portal/nubbedb.html.

NUBBEdb: Brazilian Natural Compound Database: https://nubbe.iq.unesp.br/portal/nubbedb.html Traditional Chinese Medicine Database (TCM) . Based in Taiwan.